CID 28395442

4-(2-oxo-1,3-oxazolidin-3-yl)butanoic acid

Structural Information

Molecular Formula
C7H11NO4
SMILES
C1COC(=O)N1CCCC(=O)O
InChI
InChI=1S/C7H11NO4/c9-6(10)2-1-3-8-4-5-12-7(8)11/h1-5H2,(H,9,10)
InChIKey
AKFCIHCFICKKDL-UHFFFAOYSA-N
Compound name
4-(2-oxo-1,3-oxazolidin-3-yl)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

173.0688 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.07608 134.9
[M+Na]+ 196.05802 141.6
[M-H]- 172.06152 136.1
[M+NH4]+ 191.10262 153.4
[M+K]+ 212.03196 142.0
[M+H-H2O]+ 156.06606 129.2
[M+HCOO]- 218.06700 154.5
[M+CH3COO]- 232.08265 174.5
[M+Na-2H]- 194.04347 138.5
[M]+ 173.06825 135.2
[M]- 173.06935 135.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.